SCHEMBL7899242

SCHEMBL7899242

C[C@H](CO)Nc1ncc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.41
P2RX2 Q9UBL9 4/20 0.41
CDK1 P06493 6/20 0.39
KDR P35968 4/20 0.39
CDK2 P24941 4/20 0.39
CA2 P00918 3/20 0.39
CDK4 P11802 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNH P51946 1/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
KCNH3 Q9ULD8 2/20 0.37
SYK P43405 3/20 0.35
IDH1 O75874 1/20 0.33
BRAF P15056 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK5 Q00535 2/20 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
SCHEMBL2790314 1.00 P2RX3 (0.41) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL2789226 1.00 P2RX3 (0.41) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL24103625 0.82 APLNR (0.39) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL29751802 0.82 APLNR (0.39) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL29751819 0.81 MAPK1 (0.40) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL25950534 0.79 KCNH3 (0.36) P2RX3P2RX2CDK1KDRCDK2
SCHEMBL9602997 0.78 KCNH3 (0.43) CDK1CDK2KCNH3IDH1MAPK1
SCHEMBL20341671 0.77 L3MBTL1 (0.40) KDRCDK4CDK7CDK9CCND1
SCHEMBL6102920 0.77 KDM4E (0.48) IDH1FYN
SCHEMBL7893408 0.77 HCAR3 (0.46) CDK1KDRCDK2CA2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
EP-4334298-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER Scorpion Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022265993-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
WO-2022265993-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed