SCHEMBL31728303

SCHEMBL31728303

FC(F)(F)c1cnc(NC2CCNCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KCNH2 Q12809 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34

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
Hydrochloric Acid SCHEMBL31729268 0.98 MAPK1 (0.45) MAPK1CDK2MEN1KMT2AKCNH2
SCHEMBL3323448 0.72 HTT (0.42) MAPK1MEN1KMT2AKCNH2CYP1A2
SCHEMBL25145638 0.71 CACNA1H (0.42) HRH3CHEK1
SCHEMBL25222648 0.71 LCK (0.38) CDK2MEN1KMT2ACCNT1CDK7
SCHEMBL31619971 0.70 MAPK1 (0.56) MAPK1MEN1KMT2AKCNH2CHEK1
SCHEMBL3321777 0.70 MAPK1 (0.46) MAPK1MEN1KMT2AKCNH2PIK3CA
SCHEMBL13326586 0.68 CDK2 (0.44) CDK2HRH3CHEK1FPR3FPR2
SCHEMBL24529842 0.67 PIK3CA (0.52) MAPK1KCNH2PIK3CACHEK1PTPN11
SCHEMBL3328240 0.67 MAPK1 (0.63) MAPK1CDK2CCNA2SYK
SCHEMBL24529803 0.66 DYRK1A (0.52) MAPK1KCNH2CYP2D6

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-2025235298-A1 BIFUNCTIONAL COMPOUNDS CONTAINING THIAZOLYL DERIVATIVES FOR DEGRADING CERTAIN CYCLIN-DEPENDENT KINASE VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2025-11-13 — — WO disclosed
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