SCHEMBL29574348

SCHEMBL29574348

CCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
P2RY14 Q15391 1/20 0.36
NTRK1 P04629 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL29574061 0.88 CDK7 (0.46) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL22164627 0.88 LMNA (0.41) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL28738717 0.87 P2RY14 (0.41) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL25947657 0.85 CDK7 (0.38) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL25947656 0.79 CDK2 (0.59) CCNA2CDK2CCNA1NTRK1
SCHEMBL17872102 0.78 KMT2A (0.44) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL25951333 0.78 LMNA (0.42) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL17872158 0.78 KMT2A (0.43) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL17872086 0.78 MAPT (0.40) NPC1RAB9ACDK7CCNHMNAT1
SCHEMBL25947645 0.77 PAK4 (0.58) CDK7CCNHMNAT1CCNA2CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003335-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-06-01 EP disclosed
CN-114401719-A Inhibitors of cyclin-dependent kinase 7 and uses thereof 达纳-法伯癌症研究所股份有限公司 2022-04-26 CN disclosed