SCHEMBL24137848

SCHEMBL24137848

N=C(N)c1cc(-c2cncc(Nc3ccccc3)c2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 14/20 0.55
▸ SLC22A12 Q96S37 14/20 0.55
▸ IKBKB O14920 1/20 0.41
▸ PDPK1 O15530 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL24137494 0.83 CYP11B2 (0.46) XDHSLC22A12IKBKBMKNK2
SCHEMBL24137914 0.81 LTA4H (0.44) XDHSLC22A12IKBKBMKNK2
SCHEMBL24137798 0.78 XDH (0.50) XDHSLC22A12PDPK1PIK3CG
SCHEMBL24137728 0.77 KLK5 (0.43) —
SCHEMBL24137851 0.77 KDM4E (0.41) MKNK2
SCHEMBL4192415 0.74 XDH (0.59) XDHSLC22A12MKNK1MKNK2DHODH
SCHEMBL2841435 0.74 MEN1 (0.56) XDHSLC22A12PDPK1MKNK1MKNK2
SCHEMBL24137794 0.73 CYP11B2 (0.46) XDHSLC22A12MKNK2
SCHEMBL4187260 0.73 XDH (0.63) XDHSLC22A12DHODH
SCHEMBL30065768 0.72 XDH (0.48) XDHSLC22A12PDPK1

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-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 — — WO disclosed
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