SCHEMBL4771847

SCHEMBL4771847

Clc1cccc(Nc2ncnc3[nH]c(-c4cccc(N=CN5CCOCC5)c4)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.45
EGFR P00533 9/20 0.44
BRAF P15056 4/20 0.43
TNNI3K Q59H18 4/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
TTBK1 Q5TCY1 2/20 0.42
TTBK2 Q6IQ55 2/20 0.42
FADS1 O60427 1/20 0.41
LCK P06239 1/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL4771837 1.00 CSF1R (0.45) CSF1REGFRBRAFTNNI3KABL1
SCHEMBL4764864 0.92 CSF1R (0.46) CSF1REGFRBRAFTNNI3KABL1
SCHEMBL4764871 0.92 CSF1R (0.46) CSF1REGFRBRAFTNNI3KABL1
SCHEMBL4769546 0.82 BRAF (0.46) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL4769551 0.82 BRAF (0.46) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL4764777 0.81 BRAF (0.47) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL4764781 0.81 BRAF (0.47) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL4764393 0.78 BRAF (0.45) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL4764386 0.78 BRAF (0.45) EGFRBRAFTNNI3KABL1ABL2
SCHEMBL2461054 0.78 BRAF (0.64) EGFRBRAFTNNI3KABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP claimed
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