SCHEMBL22858744

SCHEMBL22858744

Cc1cc(Br)ccc1C(=O)NCC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 10/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GABRA5 P31644 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL22858742 1.00 CNR2 (0.46) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13161992 0.82 NAMPT (0.56) CNR2NAMPT
SCHEMBL13161996 0.82 NAMPT (0.50) NAMPTRAB9ANPC1GABRA5HPGD
SCHEMBL22859047 0.82 NAMPT (0.58) NAMPTMEN1KMT2AHPGD
SCHEMBL22859045 0.82 NAMPT (0.58) NAMPTMEN1KMT2AHPGD
SCHEMBL22922423 0.82 NAMPT (0.58) NAMPTMEN1KMT2AHPGD
SCHEMBL22647137 0.78 NAMPT (0.42) CNR2NAMPTRAB9ANPC1GABRA5
SCHEMBL28503120 0.78 P2RX7 (0.47) CNR2NAMPTRAB9ANPC1
SCHEMBL22858909 0.77 NPC1 (0.41) CNR2RAB9ANPC1KMT2AHPGD
SCHEMBL22858905 0.77 NPC1 (0.41) CNR2RAB9ANPC1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239473-B Process for preparing tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2023-12-08 CN disclosed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114127067-A Tricyclic compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-03-01 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed
WO-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed
CN-112239473-A Tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2021-01-19 CN disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed