SCHEMBL12338612

SCHEMBL12338612

COC(c1ccc(NCc2ccc(C)cc2)nc1)c1c[nH]c2ncc(OCCN3CCCC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.41
▸ LTA4H P09960 4/20 0.39
▸ MAP3K11 Q16584 1/20 0.37
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33

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
SCHEMBL12342108 0.91 CSF1R (0.54) CSF1RLTA4HMAP3K11CYP2C19CYP1A2
SCHEMBL12338611 0.90 CSF1R (0.40) CSF1RLTA4HMAP3K11CYP2C19CYP1A2
SCHEMBL12342164 0.85 CSF1R (0.52) CSF1RCYP2C19KITRPS6KB1CACNA1B
SCHEMBL12338615 0.84 CSF1R (0.57) CSF1RLTA4HCYP2C19CYP1A2KIT
SCHEMBL12342106 0.80 CSF1R (0.51) CSF1RLTA4HCYP2C19KITRPS6KB1
SCHEMBL14147163 0.75 KDR (0.44) CSF1RCYP2C19CYP1A2CYP3A4RPS6KB1
SCHEMBL12343934 0.75 CSF1R (0.55) CSF1RCYP2C19CYP1A2KITCYP3A4
SCHEMBL12341431 0.74 CSF1R (0.49) CSF1RKITRPS6KB1CACNA1B
SCHEMBL1267604 0.74 CSF1R (0.71) CSF1RLTA4HCYP2C19CYP1A2KIT
SCHEMBL15316826 0.69 LTA4H (0.42) CSF1RLTA4HCYP2C19CYP1A2HRH3

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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