SCHEMBL4774926

SCHEMBL4774926

CN1CCN(Cc2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50
EGFR P00533 14/20 0.48
ABL1 P00519 2/20 0.47
ABL2 P42684 2/20 0.47
ERBB2 P04626 3/20 0.47
FADS1 O60427 2/20 0.47
PDPK1 O15530 1/20 0.47
KDR P35968 2/20 0.46
LCK P06239 1/20 0.46
PDGFRB P09619 1/20 0.45
FBP1 P09467 1/20 0.45

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
SCHEMBL7496462 0.89 TTBK1 (0.51) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL4767556 0.88 EGFR (0.51) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL4766930 0.85 KDR (0.54) TTBK1TTBK2EGFRABL1ABL2
Hydrochloric Acid SCHEMBL4764268 0.85 KDR (0.54) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL7498310 0.80 TTBK1 (0.61) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL4764732 0.79 TTBK1 (0.60) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL7498340 0.79 TTBK1 (0.60) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL7495114 0.78 TTBK1 (0.56) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL7498456 0.78 TTBK1 (0.56) TTBK1TTBK2EGFRABL1ABL2
SCHEMBL4352904 0.78 TTBK1 (0.51) TTBK1TTBK2EGFRABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US claimed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP claimed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO claimed
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP disclosed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US disclosed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP disclosed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO disclosed