SCHEMBL26499893

SCHEMBL26499893

Cc1ncnc2oc(-c3ccccc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
SENP8 Q96LD8 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
IKBKE Q14164 1/20 0.43
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL26104845 0.80 ADK (0.54) ADKSMN1; SMN2HPGDKDM4ENPC1
SCHEMBL3354773 0.80 ADK (0.51) ADKSMN1; SMN2HPGDKDM4ENPC1
SCHEMBL783019 0.80 ADK (0.51) ADKSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL22744419 0.70 MAP4K4 (0.48) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL436384 0.69 GAA (0.57) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL14355880 0.68 ADK (0.52) ADKSMN1; SMN2HPGDKDM4ENPC1
SCHEMBL869242 0.67 GAA (0.51) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL15716531 0.67 IKBKB (0.56) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL18873093 0.67 RARA (0.50) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL17087999 0.67 ELANE (0.38) RAB9AALDH1A1

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 1 patent. 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