SCHEMBL6270071

SCHEMBL6270071

CCCOc1ccc(Nc2nc(N)nc(N(C)C3CCN(C)CC3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.40
FGFR3 P22607 2/20 0.39
CDK4 P11802 2/20 0.39
CDK6 Q00534 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
PDE5A O76074 2/20 0.38
INSR P06213 1/20 0.38
KCNH2 Q12809 1/20 0.37
P2RX3 P56373 1/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
BTK Q06187 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL6 P41182 1/20 0.36
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL4839029 0.88 GALR1 (0.46) FGFR3CDK4CCND1KCNH2BCL6
SCHEMBL4836499 0.86 IDH2 (0.43) AXLFGFR3CDK4CDK6CCNT1
SCHEMBL6820022 0.82 CCNA2 (0.42) AXLCDK4CCND3
SCHEMBL6916773 0.82 AXL (0.40) AXLFGFR3CDK4CDK6ABL1
SCHEMBL4832446 0.80 GALR1 (0.42) AXLFGFR3KCNH2BCL6GALR2
SCHEMBL27628528 0.80 AGPAT2 (0.46) AXLINSRP2RX3BTKGALR2
SCHEMBL4832431 0.79 IDH2 (0.44) AXLFGFR3CDK4CDK6CCNT1
SCHEMBL4836074 0.78 EHMT2 (0.49) AXLFGFR3CDK4CCND1KCNH2
SCHEMBL5550587 0.78 GALR1 (0.48) AXLCDK4CCND1INSRKCNH2
SCHEMBL5441794 0.77 GALR1 (0.44) AXLFGFR3KCNH2BCL6GALR2

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed