SCHEMBL31217261

SCHEMBL31217261

CCOC(=O)c1nc2n(n1)CCCN(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 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
SCHEMBL25336297 0.82 TMEM97 (0.43) KMT2ANPSR1NPC1RAB9AL3MBTL1
SCHEMBL20645803 0.81 POLB (0.46) ADORA2AADORA1KMT2AHPGDALDH1A1
SCHEMBL2527853 0.77 ADORA1 (0.45) ADORA1KMT2AHPGDALDH1A1KDM4E
SCHEMBL30515585 0.75 L3MBTL1 (0.45) ADORA2AADORA1KMT2AALDH1A1NPSR1
SCHEMBL30793679 0.72 RAB9A (0.33) KMT2AHPGDALDH1A1KDM4ELMNA
SCHEMBL30680379 0.72 GABRG2 (0.35) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL12211163 0.72 KMT2A (0.39) ADORA2AADORA1KMT2AALDH1A1L3MBTL1
SCHEMBL25410612 0.71 DPP4 (0.32) TSHRHTT
SCHEMBL17112999 0.71 ADORA1 (0.38) ADORA2AADORA1KMT2AHPGDALDH1A1
SCHEMBL17112988 0.68 ADORA1 (0.44) ADORA1KMT2AHPGDALDH1A1KDM4E

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-4709729-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER Jazz Pharmaceuticals Ireland Ltd. (IE) 2026-03-18 — — EP disclosed
WO-2024236452-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER JAZZ PHARMACEUTICALS IRELAND LTD. (IE) 2024-11-21 — — WO disclosed
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