SCHEMBL4444756

SCHEMBL4444756

CN(C)CCN1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccc(F)cc45)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.54
▸ CDK2 P24941 4/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ EGFR P00533 2/20 0.48
▸ RET P07949 3/20 0.47
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ IGF1R P08069 2/20 0.45
▸ DYRK1B Q9Y463 2/20 0.45
▸ SYK P43405 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ EIF2AK2 P19525 1/20 0.44
▸ MAP3K14 Q99558 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ WEE1 P30291 1/20 0.42
▸ ALK Q9UM73 1/20 0.42

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
SCHEMBL3162405 0.87 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3049610 0.86 FLT3 (0.59) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041612 0.85 FLT3 (0.58) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3036396 0.84 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3049599 0.84 JAK2 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3043722 0.84 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL4555951 0.82 FLT3 (0.65) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3042349 0.81 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3042350 0.81 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3048139 0.81 FLT3 (0.63) FLT3CDK2CDK1CCNB1CCNE1

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-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO disclosed
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