SCHEMBL3656602

SCHEMBL3656602

Cc1cc(-c2nc(Nc3ccc(F)c(C)c3)nn2CCC(C)O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.39
▸ CDK4 P11802 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ EGFR P00533 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ STAT5A P42229 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ PKMYT1 Q99640 1/20 0.35
▸ TDO2 P48775 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ CDKL1 Q00532 1/20 0.33
▸ MAPK13 O15264 1/20 0.33

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
SCHEMBL3014873 0.86 JAK2 (0.38) JAK2CDK4CDK2TDO2GSK3B
SCHEMBL3014868 0.86 JAK2 (0.38) JAK2CDK4CDK2TDO2GSK3B
SCHEMBL3657283 0.83 KDM4E (0.36) JAK2LMNAGSK3BKCNH2RPS6KA3
SCHEMBL3657282 0.83 KDM4E (0.36) JAK2LMNAGSK3BKCNH2RPS6KA3
SCHEMBL3655261 0.81 JAK2 (0.42) JAK2CDK4CDK2SRCPDGFRA
SCHEMBL3655264 0.81 JAK2 (0.42) JAK2CDK4CDK2SRCPDGFRA
SCHEMBL3655458 0.78 KDM4E (0.34) JAK2GSK3BRPS6KA3
SCHEMBL3025071 0.77 PSEN1 (0.38) JAK2CDK4CDK2TDO2GSK3B
SCHEMBL862180 0.77 TDO2 (0.49) CDK4CDK2SRCTDO2GSK3B
SCHEMBL827665 0.75 STK17A (0.49) CDK4CDK2SRCTDO2GSK3B

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-2212309-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP disclosed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — WO disclosed
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