SCHEMBL12338611

SCHEMBL12338611

Cc1ccc(CNc2ccc(C(O)c3c[nH]c4ncc(OCCN5CCCC5)cc34)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.40
▸ LTA4H P09960 4/20 0.39
▸ CYP2C19 P33261 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34

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
SCHEMBL12342106 0.90 CSF1R (0.51) CSF1RLTA4HCYP2C19KITRPS6KB1
SCHEMBL12338612 0.90 CSF1R (0.41) CSF1RLTA4HCYP2C19KITCCNA2
SCHEMBL14147163 0.85 KDR (0.44) CSF1RCYP2C19RPS6KB1CYP1A2
SCHEMBL12338615 0.84 CSF1R (0.57) CSF1RLTA4HCYP2C19KITCYP1A2
SCHEMBL12341431 0.83 CSF1R (0.49) CSF1RKITRPS6KB1BRD4
SCHEMBL12342108 0.81 CSF1R (0.54) CSF1RLTA4HCYP2C19KITRPS6KB1
SCHEMBL14147160 0.77 CSF1R (0.42) CSF1RCYP2C19KITBRD4CYP1A2
SCHEMBL12341853 0.75 CSF1R (0.54) CSF1RCYP2C19KITRPS6KB1BRD4
SCHEMBL12342164 0.75 CSF1R (0.52) CSF1RCYP2C19KITRPS6KB1
SCHEMBL12341433 0.74 CSF1R (0.53) CSF1RCYP2C19KITRPS6KB1BRD4

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
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 — — US disclosed
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