SCHEMBL7452620

SCHEMBL7452620

Nc1nc(I)c2[nH][c]nc2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.47
▸ NUDT1 P36639 1/20 0.30

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
SCHEMBL134492 0.79 PDPK1 (0.44) NUDT1
SCHEMBL7453052 0.72 CCNA2 (0.36) CDK2NUDT1
SCHEMBL135690 0.64 CDK2 (1.00) CDK2
SCHEMBL534997 0.63 PNP (0.59) —
SCHEMBL140621 0.60 ALDH1A1 (0.50) —
SCHEMBL7456301 0.58 — —
SCHEMBL11013210 0.56 — —
SCHEMBL19313320 0.51 TLR8 (0.44) CDK2NUDT1
SCHEMBL18675780 0.51 ALDH1A1 (0.40) CDK2NUDT1
SCHEMBL22207103 0.50 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916674-B1 Purine derivatives having cyclopropane ring SUMIKA FINE CHEMICALS CO LTD (JP) 2002-05-08 — — EP disclosed
US-6342603-B1 PREPARING CYCLOPROPANE RING-CLEAVED PURINE DERIVATIVE BY HYDROGENATING PURINE DERIVATIVE HAVING CYCLOPROPANE RING SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-01-29 — — US disclosed
US-6156892-A Purine derivatives having cyclopropane ring SUMIKA FIRE CHEMICALS CO., LTD. (JP) 2000-12-05 — — US disclosed
EP-0916674-A1 Purine derivatives having cyclopropane ring SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-05-19 — — EP disclosed
Send feedback