SCHEMBL23530627

SCHEMBL23530627

O=C(NCc1cn2ccc(-c3ccccc3)cc2n1)Oc1cc(Cl)nc2c(C3CC3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 9/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ METTL3 Q86U44 6/20 0.35
▸ POLB P06746 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
SCHEMBL23530631 0.86 KLKB1 (0.35) KLKB1KDM4EHPGDALDH1A1METTL3
SCHEMBL23530939 0.83 KDM4E (0.38) KLKB1KDM4EALDH1A1
SCHEMBL23530805 0.81 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10METTL3
SCHEMBL23530583 0.81 KLKB1 (0.43) KLKB1METTL3
SCHEMBL23530871 0.80 RAB9A (0.39) KLKB1KDM4EMETTL3POLB
SCHEMBL23531003 0.80 KLKB1 (0.40) KLKB1KDM4EALDH1A1METTL3POLB
SCHEMBL23530625 0.80 KLKB1 (0.34) KLKB1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL23530932 0.79 RBP4 (0.33) KLKB1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL23530882 0.79 KLKB1 (0.36) KLKB1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL23530958 0.78 KLKB1 (0.35) KLKB1METTL3

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-2021122745-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2021-06-24 — — WO disclosed
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