SCHEMBL29039129

SCHEMBL29039129

CNc1ccc(N2CCC(F)(F)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.41
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HDAC4 P56524 1/20 0.39
SYK P43405 2/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HCAR3 P49019 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
NNMT P40261 1/20 0.37
MGLL Q99685 1/20 0.36
TYK2 P29597 1/20 0.36
JAK2 O60674 1/20 0.36
CDK6 Q00534 2/20 0.36

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
SCHEMBL31587198 0.78 PIK3CA (0.42) EP300CDK4CCND1CHRNB2CHRNB4
SCHEMBL24932139 0.77 EP300 (0.45) EP300CDK4CCND1HDAC4SYK
SCHEMBL30486010 0.75 EP300 (0.43) EP300CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29039125 0.75 EP300 (0.43) EP300CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30486004 0.75 RXRA (0.42) EP300CDK4CCND1CHRNB2CHRNB4
SCHEMBL16840715 0.74 CCND3 (0.50) CDK4CCND1CDK6
SCHEMBL23768373 0.74 LATS1 (0.40) SYKCDK6
SCHEMBL25949333 0.73 CTSC (0.42) CDK4CCND1CHRNB2CHRNA4HCAR3
SCHEMBL12569861 0.73 POLB (0.51) CDK4CCND1TYK2JAK2CDK6
SCHEMBL20038429 0.73 CHRNB2 (0.58) CDK4CCND1CHRNB2CHRNA4CDK6

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
CN-116462676-A Multi-condensed ring PRMT5 inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-07-21 CN disclosed