SCHEMBL29009529

SCHEMBL29009529

CN1CCN(Cc2ccc3nc(-c4n[nH]c5cccc(N)c45)[nH]c3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.73
FLT1 P17948 4/20 0.73
KDR P35968 6/20 0.58
PDGFRB P09619 1/20 0.58
GSK3B P49841 1/20 0.51
FGFR2 P21802 5/20 0.51
FGFR3 P22607 5/20 0.51
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 2/20 0.45
CDK2 P24941 1/20 0.44
PRKCZ Q05513 1/20 0.44
KCNH2 Q12809 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK1D P48730 1/20 0.43
MAP3K8 P41279 1/20 0.42
ILK Q13418 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
SCHEMBL3533576 0.85 FGFR1 (0.71) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL31006247 0.85 FGFR1 (0.71) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL3535637 0.85 FGFR1 (1.00) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL31006249 0.84 FGFR1 (0.67) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL3533608 0.79 FGFR1 (0.74) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL3534013 0.78 FGFR1 (0.76) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL3541844 0.78 FGFR1 (0.76) FGFR1FLT1KDRPDGFRBGSK3B
SCHEMBL29009526 0.76 ITK (0.46) FGFR1FLT1KDRGSK3BFGFR3
SCHEMBL31006258 0.76 ITK (0.46) FGFR1FLT1KDRGSK3BFGFR3
SCHEMBL31006255 0.76 BRD4 (0.43) FGFR1FLT1KDRPDGFRBGSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217551-A Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2023-06-06 CN disclosed