SCHEMBL3642830

SCHEMBL3642830

COC(=O)C1CCN(CCOc2cc(Nc3ncc(Br)cn3)ccc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 5/20 0.45
▸ EPHX2 P34913 7/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL13472149 0.88 CSF1R (0.43) CSF1REPHX2DRD2JAK3BTK
SCHEMBL3647438 0.85 LTA4H (0.52) JAK3LTA4HKDM4EEGFR
SCHEMBL3650361 0.84 CSF1R (0.41) CSF1REPHX2DRD2BTKLTA4H
SCHEMBL3647343 0.80 THRA (0.47) CSF1RLTA4HHTR2AHTR2CKDM4E
SCHEMBL13472146 0.80 CSF1R (0.42) CSF1REPHX2DRD2LTA4HHTR2A
SCHEMBL3642834 0.78 PTK2 (0.38) KDM4EEGFRCCNT1CCNE1CDK2
SCHEMBL17842398 0.76 LTA4H (0.54) DRD2LTA4HKDM4E
SCHEMBL3652871 0.75 LTA4H (0.40) CSF1REPHX2DRD2BTKLTA4H
SCHEMBL13935153 0.75 LTA4H (0.52) JAK3LTA4HEGFR
SCHEMBL13472135 0.75 LTA4H (0.56) JAK3LTA4HKDM4EEGFR

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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