SCHEMBL6618645

SCHEMBL6618645

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ CCR2 P41597 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RAF1 P04049 5/20 0.41
▸ BRAF P15056 4/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL6621242 0.99 TP53 (0.49) TP53CCR2MAPTLMNASMN1; SMN2
SCHEMBL6617441 0.92 RAF1 (0.45) CCR2RAF1BRAF
SCHEMBL6620165 0.90 RAF1 (0.44) LMNARAF1BRAFPOLBCTDSP1
SCHEMBL6617712 0.86 RAF1 (0.44) TP53CCR2MAPTLMNARAF1
SCHEMBL6660284 0.86 ACKR3 (0.42) TP53MAPTLMNASMN1; SMN2CHRM4
SCHEMBL6616122 0.86 RAF1 (0.46) RAF1BRAFDDR2POLBCTDSP1
SCHEMBL6672260 0.86 MEN1 (0.45) CCR2RAF1BRAFKCNK3
SCHEMBL6619971 0.86 RAF1 (0.43) LMNARAF1BRAFPOLBCTDSP1
SCHEMBL6615137 0.86 RAF1 (0.41) CCR2RAF1BRAFDDR2POLB
SCHEMBL6614038 0.85 KCNK3 (0.44) CCR2LMNARAF1BRAFPOLB

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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