SCHEMBL25590741

SCHEMBL25590741

Cc1cc(I)n2ncc(C(C)C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ RAB9A P51151 6/20 0.35
▸ MAPT P10636 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ CDK7 P50613 6/20 0.34
▸ CDK4 P11802 3/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ CDK2 P24941 5/20 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
SCHEMBL2737272 0.83 KDM4E (0.54) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL23181411 0.80 RAB9A (0.54) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20971704 0.80 MAPT (0.54) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11951646 0.78 HPGD (0.42) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL12695026 0.78 HPGD (0.51) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11951619 0.74 HSD17B10 (0.57) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11951633 0.74 CDK7 (0.46) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL11951623 0.73 CRHR1 (0.39) KDM4EL3MBTL1MAPK1TP53CDK7
SCHEMBL25590740 0.72 HSD17B10 (0.43) KDM4ERAB9AMAPTNPC1SMN1; SMN2
SCHEMBL26973993 0.70 CDK2 (0.33) MAPK1CDK7CDK4CDK9CDK2

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
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 — — EP disclosed
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