SCHEMBL8930209

SCHEMBL8930209

Nc1ncnc2c1c(-c1ccccc1)cn2C1CCC(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 1.00
ABL1 P00519 8/20 1.00
ABL2 P42684 8/20 1.00
SRC P12931 15/20 0.82
LCK P06239 4/20 0.82
KDR P35968 4/20 0.82
TEK Q02763 3/20 0.82
PRKD3 O94806 1/20 0.82
PRKCG P05129 1/20 0.82
PRKCB P05771 1/20 0.82
PRKCA P17252 1/20 0.82
PRKCH P24723 1/20 0.82
PRKCI P41743 1/20 0.82
PRKCE Q02156 1/20 0.82
PRKCQ Q04759 1/20 0.82
PRKCZ Q05513 1/20 0.82
PRKCD Q05655 1/20 0.82
PRKD1 Q15139 1/20 0.82
RIPK2 O43353 3/20 0.73
LYN P07948 2/20 0.60

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
SCHEMBL6861201 0.91 SRC (1.00) EGFRABL1ABL2SRCLCK
SCHEMBL132510 0.84 SRC (1.00) EGFRABL1ABL2SRCLCK
SCHEMBL2075318 0.84 SRC (0.89) EGFRABL1ABL2SRCLCK
SCHEMBL8128439 0.83 LCK (0.85) EGFRABL1ABL2SRCLCK
SCHEMBL28928810 0.83 EGFR (0.71) EGFRABL1ABL2SRCLCK
SCHEMBL28928811 0.83 EGFR (0.71) EGFRABL1ABL2SRCLCK
SCHEMBL5936173 0.83 SRC (0.97) EGFRABL1ABL2SRCLCK
SCHEMBL24458410 0.82 LCK (0.88) EGFRABL1ABL2SRCLCK
SCHEMBL24458713 0.82 LCK (0.88) EGFRABL1ABL2SRCLCK
SCHEMBL24458415 0.82 LCK (0.88) EGFRABL1ABL2SRCLCK

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
WO-1997028161-A1 NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 1997-08-07 WO disclosed