SCHEMBL3642834

SCHEMBL3642834

CC(CN1CCC(C(=O)O)CC1)Oc1cc(Nc2ncc(Br)cn2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ EGFR P00533 6/20 0.36
▸ ITK Q08881 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ WNT1 P04628 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL3650367 0.86 EGFR (0.39) PTK2EGFRWNT1GSK3BDYRK1A
SCHEMBL3647440 0.85 PTK2 (0.42) PTK2JAK2BRD4EGFR
SCHEMBL3642830 0.78 CSF1R (0.45) EGFRKDM4ECCNT1CCNE1CDK2
SCHEMBL13472146 0.74 CSF1R (0.42) —
SCHEMBL3647638 0.73 PTK2 (0.53) PTK2CCR5JAK2EGFRKDM4E
SCHEMBL3652871 0.73 LTA4H (0.40) JAK2EGFRDYRK1A
SCHEMBL13472135 0.72 LTA4H (0.56) JAK2BRD4EGFRKDM4E
SCHEMBL3646533 0.72 HTR2A (0.44) PTK2CCR5KDM4ELMNA
SCHEMBL3647350 0.71 PTK2 (0.46) PTK2JAK2
SCHEMBL3644936 0.69 KCNH2 (0.52) EGFRITKRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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