SCHEMBL27512441

SCHEMBL27512441

CC(CC(=N)CCNCCO)n1cc(-c2ccccc2)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.53
▸ EGFR P00533 6/20 0.52
▸ ABL1 P00519 3/20 0.52
▸ ABL2 P42684 3/20 0.52
▸ CSK P41240 2/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ KDR P35968 6/20 0.49
▸ TEK Q02763 5/20 0.48
▸ LCK P06239 3/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PRKDC P78527 1/20 0.47

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
SCHEMBL27535239 0.90 SRC (0.58) SRCEGFRABL1ABL2CDK1
SCHEMBL27381319 0.76 SRC (0.53) SRCEGFRABL1ABL2KDR
SCHEMBL27399946 0.74 PIK3CD (0.66) SRCEGFRABL1ABL2KDR
SCHEMBL27378709 0.73 PIK3CD (0.63) SRCEGFRABL1ABL2KDR
SCHEMBL27383576 0.72 IGF1R (0.56) SRCEGFRABL1ABL2CDK1
SCHEMBL27555108 0.72 TEK (0.74) SRCEGFRKDRTEKLCK
SCHEMBL30136499 0.72 SRC (0.61) SRCEGFRABL1ABL2CDK1
SCHEMBL7855241 0.71 TEK (0.63) SRCKDRTEKLCK
SCHEMBL8820310 0.69 EGFR (0.78) SRCEGFRABL1ABL2CDK1
SCHEMBL2073442 0.69 TEK (0.78) SRCEGFRABL1ABL2CSK

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-1216544-A Novel N-7-heterocyclyl pyrrolo [2,3-D] pyridines and their use NOVARTIS AG (CH) 1999-05-12 — — CN disclosed
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