SCHEMBL3955501

SCHEMBL3955501

C[C@H](Oc1nncc2cc(-c3cccc(C(N)=O)c3)ccc12)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
KDR P35968 4/20 0.54
KIT P10721 3/20 0.54
MAPK9 P45984 3/20 0.54
LCK P06239 2/20 0.54
LYN P07948 1/20 0.54
MAPK10 P53779 1/20 0.54
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ERN1 O75460 1/20 0.40
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 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
SCHEMBL393973 0.85 MAPK14 (0.73) MAPK14KDRKITMAPK9LCK
SCHEMBL396376 0.85 MAPK14 (0.73) MAPK14KDRKITMAPK9LCK
SCHEMBL4576512 0.83 MAPK14 (0.56) MAPK14KDRKITMAPK9LCK
SCHEMBL4576490 0.83 MAPK14 (0.56) MAPK14KDRKITMAPK9LCK
SCHEMBL393447 0.83 MAPK14 (0.56) MAPK14KDRKITMAPK9LCK
SCHEMBL435291 0.82 CDK2 (0.43) MAPK14KDRMAPK9LCKLYN
SCHEMBL437501 0.82 CDK2 (0.43) MAPK14KDRMAPK9LCKLYN
SCHEMBL1406123 0.76 MAPK14 (0.77) MAPK14KDRKITMAPK9LCK
SCHEMBL1406009 0.76 MAPK14 (0.77) MAPK14KDRKITMAPK9LCK
SCHEMBL439662 0.76 CDK2 (0.45) MAPK14KDRMAPK9LCKLYN

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-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 WO disclosed