SCHEMBL3646533

SCHEMBL3646533

O=C(O)C1CCN(CCc2ccc(Nc3ncc(Br)cn3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3647638 0.89 PTK2 (0.53) PTK2SYKSIGMAR1HRH3KDM4E
SCHEMBL3647343 0.88 THRA (0.47) HTR2APTK2IGF1RHTR2CHTR7
SCHEMBL13472135 0.85 LTA4H (0.56) HTR7LTA4HSYKHRH3HDAC1
SCHEMBL1735359 0.82 OPRM1 (0.46) HTR2CHTR7LTA4HSIGMAR1HRH3
Hydrochloric Acid SCHEMBL1734487 0.81 OPRM1 (0.45) HTR2CHTR7LTA4HSIGMAR1HRH3
SCHEMBL15566801 0.80 HTR2A (0.57) HTR2AHTR2CHTR7HTR6LTA4H
SCHEMBL3647442 0.80 LTA4H (0.42) HTR2APTK2HTR2CHTR7HTR6
SCHEMBL3647350 0.80 PTK2 (0.46) PTK2SYKTNK2
SCHEMBL4287320 0.79 IGF1R (0.61) IGF1RCDK1KDRCSF1RSIGMAR1
SCHEMBL3647440 0.78 PTK2 (0.42) PTK2LTA4HSYKSIGMAR1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
WO-2009026276-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO disclosed
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