SCHEMBL26103804

SCHEMBL26103804

CN1CCN(c2ccc(-c3cc4c(=O)[nH]cnc4o3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
IP6K1 Q92551 3/20 0.43
IP6K3 Q96PC2 2/20 0.43
USP8 P40818 1/20 0.43
JAK2 O60674 1/20 0.43
TNKS O95271 2/20 0.43
PARP1 P09874 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42

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
SCHEMBL26103306 0.79 CYP1A1 (0.47) CYP1A1CYP1B1USP8CCNT1CDK9
SCHEMBL26101770 0.76 CYP1A1 (0.44) CYP1A1CYP1B1USP8JAK2CCNT1
SCHEMBL16564212 0.76 ALDH1A1 (0.49) CYP1A1CYP1B1JAK2TNKSPARP1
SCHEMBL26103326 0.76 PIM1 (0.49) TNKSPARP1TNKS2CHEK1
SCHEMBL20492643 0.76 PARP1 (0.49) IP6K1IP6K3TNKSPARP1TNKS2
SCHEMBL1789896 0.76 HPGD (0.49) CYP1B1IP6K1IP6K3TNKSPARP1
SCHEMBL4876138 0.74 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL20971051 0.71 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL4869700 0.71 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL25138197 0.69 KMT2A (0.55) CYP1A1CYP1B1USP8ASIC3

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
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed